[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "H" "H" "H" "H" ] } "a" { "source-value" 3.1307957470417023 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.130795747041702e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 185.99028800048552 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725111113 "si-unit" "kg / m s^2" "si-value" 185990288000.4855 } "c12" { "source-value" 123.625011241329 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361968981 "si-unit" "kg / m s^2" "si-value" 123625011241.329 } "c44" { "source-value" 124.46555381672316 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814047805 "si-unit" "kg / m s^2" "si-value" 124465553816.7232 } "excess" { "source-value" 0.4118379663965241 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135316 "si-unit" "kg / m s^2" "si-value" 411837966.3965241 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "H" "H" "H" "H" ] } "a" { "source-value" 3.1307957470417023 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.130795747041702e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 144.4134368277145 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578860246 "si-unit" "kg / m s^2" "si-value" 144413436827.7145 } } ]